SCHEMBL28385258

SCHEMBL28385258

COCCOC1CCN(c2ncc(O)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
LRRK2 Q5S007 3/20 0.38
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
HCRTR2 O43614 3/20 0.36
CD38 P28907 1/20 0.36
OPRM1 P35372 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20148207 0.87 AOC3 (0.40) AOC3HCRTR2
SCHEMBL31104582 0.82 AOC3 (0.53) AOC3KDM4E
SCHEMBL28390717 0.80 KIT (0.48) AOC3KDM4EALDH1A1
SCHEMBL2246355 0.73 GPR119 (0.43) AOC3
SCHEMBL25063680 0.73 PIK3CA (0.45) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL26077252 0.73 ALDH1A1 (0.45) AOC3KDM4EALDH1A1HPGD
SCHEMBL9910629 0.72 GPR119 (0.40) AOC3HCRTR2
SCHEMBL12356448 0.72 GPR119 (0.47) KDM4E
SCHEMBL13097071 0.72 DRD2 (0.48) ALDH1A1LIPCLIPGOPRM1
SCHEMBL23592736 0.72 CD38 (0.42) PIK3CAMTORKDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938059-A Preparation and application of aminourea sensitive amine oxidase inhibitor 上海轶诺药业有限公司 2020-03-31 CN disclosed